Works Published in 2016
Displaying works 81 - 100 of 254 in total
Sorted by most recent date added to the index first, which may not be the same as publication date order.
2016 journal article
Dynamics of H2 adsorbed in porous materials as revealed by computational analysis of inelastic neutron scattering spectra
Physical Chemistry Chemical Physics, 18(26), 17141–17158.
TL;DR:
Calculations of the PES used for two- dimensional quantum rotation as well as rigorous five-dimensional quantum coupled translation-rotation dynamics are described and demonstrate that the combination of INS measurements and computational modeling can provide important and detailed insights into the molecular mechanism of H2 adsorption in porous materials.
(via Semantic Scholar)
Sources: Crossref, NC State University Libraries
Added: September 19, 2020
2016 journal article
An unusual H2 sorption mechanism in PCN-14: insights from molecular simulation
Physical Chemistry Chemical Physics, 18(31), 21421–21430.
TL;DR:
The power of using molecular simulations to elucidate an unusual H2 sorption behavior in a MOF shows the power of utilizing well-known H2 potentials that have been widely used for MOF-H2 theoretical studies.
(via Semantic Scholar)
Sources: Crossref, NC State University Libraries
Added: September 19, 2020
2016 journal article
Rational controlled morphological transitions in the self-assembled multi-headed giant surfactants in solution
Chemical Communications, 52(56), 8687–8690.
TL;DR:
A series of multi-headed giant surfactants based on polystyrene (PS)-polyhedral oligomeric silsesquioxane(s) (POSS) conjugates, with a different number and topology of POSS heads, are found to self-assemble into different supramolecular structures including vesicles, cylindrical and spherical micelles in H2O/DMF mixed solvents.
(via Semantic Scholar)
Sources: Crossref, NC State University Libraries
Added: September 16, 2020
2016 journal article
Accurate H2 Sorption Modeling in the rht-MOF NOTT-112 Using Explicit Polarization
Crystal Growth & Design, 16(10), 6024–6032.
Sources: Crossref, NC State University Libraries
Added: September 16, 2020
2016 journal article
Theoretical Investigations of CO2 and H2 Sorption in Robust Molecular Porous Materials
Langmuir, 32(44), 11492–11505.
TL;DR:
The detailed insights that molecular simulations can provide on the CO2 and H2 sorption mechanism in MPMs are illustrated and the remarkable H2 Sorption properties for MPM-1-TIFSIX have been confirmed.
(via Semantic Scholar)
Sources: Crossref, NC State University Libraries
Added: September 16, 2020
2016 journal article
Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds
IUCrJ, 3(6), 430–439.
author keywords: molecular hydrates; CSD survey; hydrate screening experiments; electrostatic potential; hydrogen bonding; N-heterocyclic aromatic compounds
TL;DR:
The propensity for crystalline hydrate formation by molecular compounds that are devoid of strong hydrogen-bond donors has been analyzed and rationalized through a Cambridge Structural Database survey, systematic hydrate screening experiments and computational studies.
(via Semantic Scholar)
journals.iucr.org (publisher PDF)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
Sources: Crossref, NC State University Libraries
Added: September 16, 2020
2016 journal article
On-resin N -terminal peptoid degradation: Toward mild sequencing conditions
Biopolymers, 106(5), 726–736.
author keywords: peptoid sequencing; Edman degradation; N-terminal degradation
MeSH headings : Peptoids / chemistry; Peptoids / genetics; Proteolysis; Sequence Analysis, Protein / methods
TL;DR:
It is demonstrated that sequential N‐terminal degradation of the first two residues proceeds in 87% and 74% conversions on average, respectively, and represents substantial progress toward a mild, iterative sequencing method for peptoid oligomers.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
Sources: Crossref, NC State University Libraries
Added: August 28, 2020
2016 journal article
Efficient Generation of Long-Lived Triplet Excitons in 2D Hybrid Perovskite
Advanced Materials, 29(9), 1604278.
Contributors: R. Younts n, H. Duan*, B. Gautam n, B. Saparov *, J. Liu *, C. Mongin n, F. Castellano n , D. Mitzi *, K. Gundogdu n
TL;DR:
Triplet excitons form in quasi-2D hybrid inorganic-organic perovskites and diffuse over 100 nm before radiating with >11% photoluminescence quantum efficiency (PLQE) at low temperatures.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science)
Sources: Crossref, ORCID, NC State University Libraries
Added: August 28, 2020
2016 journal article
Improved chemical and mechanical stability of peptoid nanosheets by photo-crosslinking the hydrophobic core
Chemical Communications, 52(26), 4753–4756.
MeSH headings : Cross-Linking Reagents / chemistry; Electrophoresis, Polyacrylamide Gel; Hydrophobic and Hydrophilic Interactions; Microscopy, Fluorescence; Nanostructures / chemistry; Peptoids / chemistry; Photochemical Processes; Spectrum Analysis, Raman; Stress, Mechanical; X-Ray Diffraction
TL;DR:
Photolabile monomers were introduced in order to crosslink the nanosheet interior to produce a more robust material that can survive sonication, lyophilization, and other biochemical manipulations.
(via Semantic Scholar)
Sources: Crossref, NC State University Libraries
Added: February 24, 2020
2016 journal article
Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core
Langmuir, 32(45), 11946–11957.
TL;DR:
It is demonstrated that substitution at the meta and para positions of the Npe aromatic ring are well tolerated, enabling significant opportunities to tune the functional properties of peptoid nanosheets.
(via Semantic Scholar)
Sources: Crossref, NC State University Libraries
Added: February 24, 2020
2016 journal article
Design, Synthesis, Assembly, and Engineering of Peptoid Nanosheets
Accounts of Chemical Research, 49(3), 379–389.
MeSH headings : Hydrophobic and Hydrophilic Interactions; Microscopy, Atomic Force; Microscopy, Electron; Microscopy, Fluorescence; Nanostructures; Peptoids / chemistry; Protein Engineering; X-Ray Diffraction
TL;DR:
It is discovered that individual peptoid polymers with a simple sequence of alternating hydrophobic and ionic monomers can self-assemble into highly ordered, free-floating nanosheets, which provide a robust platform for the discovery of new classes of nanOSheets with tunable properties and novel applications.
(via Semantic Scholar)
Sources: Crossref, NC State University Libraries
Added: February 24, 2020
2016 journal article
Activity prediction and identification of mis-annotated chemical compounds using extreme descriptors
Journal of Chemometrics, 30(3), 99–108.
author keywords: extreme descriptors; low-variance descriptors; mislabeling; QSAR; Prediction
TL;DR:
It is demonstrated using two case studies (M2 muscarinic receptors and skin sensitization) that extreme descriptors can be used for the identification of possibly mislabeled compounds and should be considered in quantitative structure–activity relationship modeling studies.
(via Semantic Scholar)
Source: Crossref
Added: February 24, 2020
2016 journal article
Stereocontrolled Synthesis of (+)-Plagiogyrin A
Organic Letters, 18(20), 5308–5311.
TL;DR:
The skeleton of Plagiogyrin A is synthesized by employing a stereocontrolled aldol reaction followed by the installation of the α-ketoaldehyde moiety derived from the mild oxidation of an α-diazoketone.
(via Semantic Scholar)
Sources: Crossref, NC State University Libraries
Added: February 24, 2020
2016 journal article
A cell wall-bound anionic peroxidase, PtrPO21, is involved in lignin polymerization in Populus trichocarpa
Tree Genetics & Genomes, 12(2).
author keywords: Lignin polymerization; Populus trichocarpa; Lignin peroxidase; LC-MS/MS; Lignin systems biology
TL;DR:
Differentially expressed gene (DEG) analysis of PtrPO21 downregulated transgenics identified a significant overexpression of PtPrx35, suggesting a compensatory effect within the peroxidase family.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
15. Life on Land
(OpenAlex)
Sources: Crossref, NC State University Libraries
Added: February 24, 2020
2016 journal article
smFRET and DEER Distance Measurements as Applied to Disordered and Structured Proteins
Biophysical Journal, 110(3), 559a.
TL;DR:
Single molecule (sm) FRET reports on conformation of individual protein molecules whereas DEER provides information on ensemble average while the distance ranges of these two methods overlaps, and direct comparison of FRET and DEER data is rarely found in the literature.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Crossref, NC State University Libraries
Added: February 24, 2020
2016 journal article
Ordering Effect Induced by SARS-CoV Fusion Peptides on Membranes Containing Negatively Charged Lipids Might be Important to Membrane Fusion
Biophysical Journal, 110(3), 418a.
TL;DR:
The combined effect of an increased chain-packing energy, which induces bending moment in the bilayer, and membrane surface ordering, which is related to lipid dehydration, might promote negative curvature for negatively charged lipid-containing membranes, thus, helping to overcome the high kinetic barrier of the membrane fusion.
(via Semantic Scholar)
Sources: Crossref, ORCID, NC State University Libraries
Added: February 24, 2020
2016 journal article
Interactions of Antibacterial Peptides with Nanotubular Lipid Bilayers: Binding Kinetics and Distortions of the Bilayer Structure
Biophysical Journal, 110(3), 79a.
TL;DR:
The data relate peptide binding and lysis kinetics to structural changes in lipid bilayers, thus, shedding the light on the underlying multistep mechanism.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Sources: Crossref, ORCID, NC State University Libraries
Added: February 24, 2020
2016 journal article
Ultra-High Resolution Ion Mobility Separations Utilizing Traveling Waves in a 13 m Serpentine Path Length Structures for Lossless Ion Manipulations Module
Analytical Chemistry, 88(18), 8957–8964.
Contributors: L. Deng *, Y. Ibrahim *, A. Hamid *, S. Garimella *, I. Webb *, X. Zheng *, S. Prost*, J. Sandoval*
MeSH headings : Animals; Cattle; Electrodes; Electromagnetic Phenomena; Equipment Design; Ions / analysis; Isomerism; Mass Spectrometry / instrumentation; Mass Spectrometry / methods; Oligosaccharides / analysis; Oligosaccharides / chemistry; Peptides / analysis; Serum Albumin, Bovine / chemistry
TL;DR:
The development and initial evaluation of a 13 m path length Structures for Lossless Manipulations (SLIM) module for achieving high resolution separations using traveling waves (TW) with ion mobility (IM) spectrometry and it provides a foundation for the development of much higher resolution SLIM devices based upon both considerably longer path lengths and multipass designs.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2016 journal article
Uncovering biologically significant lipid isomers with liquid chromatography, ion mobility spectrometry and mass spectrometry
Analyst, 141(5), 1649–1659.
Contributors: J. Kyle *, X. Zhang *, K. Weitz *, M. Monroe *, Y. Ibrahim *, R. Moore *, J. Cha*, X. Sun *
MeSH headings : Chromatography, Liquid / methods; Fatty Acids / chemistry; Fatty Acids / metabolism; Lipids / chemistry; Lipids / isolation & purification; Mass Spectrometry / methods; Metabolomics / methods; Stereoisomerism
TL;DR:
It is shown that combining liquid chromatography and structurally-based ion mobility spectrometry (IMS) measurement with MS analyses distinguishes lipid isomers and allows insight into biological and disease processes.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2016 journal article
The past, present and future of microbiome analyses
Nature Protocols, 11(11), 4–8.
Contributors: R. White *, S. Callister*, R. Moore *, E. Baker* & J. Jansson *
TL;DR:
Key improvements in multi-omic environmental and human microbiome analyses are reviewed, and developments required to address current measurement shortcomings are discussed.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
2. Zero Hunger
(OpenAlex)
Source: ORCID
Added: December 5, 2019
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